BDBM50447182 CHEMBL3113192::US10752581, Compound 62

SMILES: COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1

InChI Key: InChIKey=OFKPCFOWCAYUCL-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50447182   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50447182 (CHEMBL3113192 | US10752581, Compound 62) Show SMILES COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1 Show InChI InChI=1S/C22H21N3O5S2/c1-29-16-8-11-18-20(12-16)31-22(24-18)25-32(27,28)17-9-6-15(7-10-17)23-13-14-4-3-5-19(30-2)21(14)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human reticulocyte 15-LOX1 using arachidonic acid as substrate by UV-vis spectrophotometric analysis				J Med Chem 57: 495-506 (2014) Article DOI: 10.1021/jm4016476 BindingDB Entry DOI: 10.7270/Q27082XR
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50447182 (CHEMBL3113192 | US10752581, Compound 62) Show SMILES COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1 Show InChI InChI=1S/C22H21N3O5S2/c1-29-16-8-11-18-20(12-16)31-22(24-18)25-32(27,28)17-9-6-15(7-10-17)23-13-14-4-3-5-19(30-2)21(14)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University US Patent					Assay Description UV-vis cuvette-based assay.				US Patent US10752581 (2020)
					More data for this Ligand-Target Pair
Arachidonate 12-lipoxygenase (Homo sapiens (Human))	BDBM50447182 (CHEMBL3113192 | US10752581, Compound 62) Show SMILES COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1 Show InChI InChI=1S/C22H21N3O5S2/c1-29-16-8-11-18-20(12-16)31-22(24-18)25-32(27,28)17-9-6-15(7-10-17)23-13-14-4-3-5-19(30-2)21(14)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University US Patent					Assay Description UV-vis cuvette-based assay.				US Patent US10752581 (2020)
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50447182 (CHEMBL3113192 | US10752581, Compound 62) Show SMILES COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1 Show InChI InChI=1S/C22H21N3O5S2/c1-29-16-8-11-18-20(12-16)31-22(24-18)25-32(27,28)17-9-6-15(7-10-17)23-13-14-4-3-5-19(30-2)21(14)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis				J Med Chem 57: 495-506 (2014) Article DOI: 10.1021/jm4016476 BindingDB Entry DOI: 10.7270/Q27082XR
					More data for this Ligand-Target Pair